Chembase list of 866358 unique molecular structures

2-(2,2-dimethylpropanamido)propanoic acid

$$$$ Data

M. F.

C8H15NO3

Suppliers	Catalog Number
Enamine	EN300-27605

Database	Data ID
PubChem	546387

M. W.

173.2096

CAS

Similarity

N/A

ID: 253702

3-(2,2-dimethylpropanamido)propanoic acid

$$$$ Data

M. F.

C8H15NO3

Suppliers	Catalog Number
Enamine	EN300-27606

Database	Data ID
PubChem	16227981

M. W.

173.2096

CAS

5910-56-5

Similarity

N/A

ID: 253703

1-(4-fluorophenyl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C14H9FN2O2S

Suppliers	Catalog Number
Enamine	EN300-27610

Database	Data ID
PubChem	16227982

M. W.

288.2968632

CAS

Similarity

N/A

ID: 253704

methyl 1-aminocyclohexane-1-carboxylate hydrochloride

$$$$ Data

M. F.

C8H16ClNO2

Suppliers	Catalog Number
Enamine	EN300-27613

Database	Data ID
PubChem	22645079

M. W.

193.67114

CAS

Similarity

N/A

ID: 253705

methyl 3-(benzylamino)propanoate hydrochloride

$$$$ Data

M. F.

C11H16ClNO2

Suppliers	Catalog Number
Enamine	EN300-27617

Database	Data ID
PubChem	17499422

M. W.

229.70324

CAS

Similarity

N/A

ID: 253706

methyl 3-[(4-aminophenyl)formamido]propanoate

$$$$ Data

M. F.

C11H14N2O3

Suppliers	Catalog Number
Enamine	EN300-27619

Database	Data ID
PubChem	12469761

M. W.

222.24046

CAS

Similarity

N/A

ID: 253707

methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

$$$$ Data

M. F.

C7H10N2O2S

Suppliers	Catalog Number
Enamine	EN300-27626

Database	Data ID
PubChem	71758702

M. W.

186.2315

CAS

Similarity

N/A

ID: 253708

methyl 2-amino-5-(morpholin-4-yl)benzoate

$$$$ Data

M. F.

C12H16N2O3

Suppliers	Catalog Number
Enamine	EN300-27630

Database	Data ID
PubChem	14983555

M. W.

236.26704

CAS

134050-76-3

Similarity

N/A

ID: 253709

methyl 1,2,3,4-tetrahydroquinoline-5-carboxylate

$$$$ Data

M. F.

C11H13NO2

Suppliers	Catalog Number
Enamine	EN300-27631

Database	Data ID
PubChem	16244383

M. W.

191.22642

CAS

939758-71-1

Similarity

N/A

ID: 253710

methyl 3-amino-3-(thiophen-2-yl)propanoate hydrochloride

$$$$ Data

M. F.

C8H12ClNO2S

Suppliers	Catalog Number
Enamine	EN300-27632

Database	Data ID
PubChem	17529508

M. W.

221.70438

CAS

Similarity

N/A

ID: 253711

2,4-dichloropyrimidine-5-sulfonyl chloride

$$$$ Data

M. F.

C4HCl3N2O2S

Suppliers	Catalog Number
Enamine	EN300-27634

Database	Data ID
PubChem	16227984

M. W.

247.48694

CAS

23920-08-3

Similarity

N/A

ID: 253712

ethyl 2,4-dioxohexanoate

$$$$ Data

M. F.

C8H12O4

Suppliers	Catalog Number
Enamine	EN300-27635

Database	Data ID
PubChem	61590

M. W.

172.17848

CAS

13246-52-1

Similarity

N/A

ID: 253713

2-methyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine

$$$$ Data

M. F.

C8H10F3N3

Suppliers	Catalog Number
Enamine	EN300-27636

Database	Data ID
PubChem	16227985

M. W.

205.1803096

CAS

Similarity

N/A

ID: 253714

2-(piperazin-1-yl)pyridine-4-carbonitrile

$$$$ Data

M. F.

C10H12N4

Suppliers	Catalog Number
Enamine	EN300-27637

Database	Data ID
PubChem	16227986

M. W.

188.22908

CAS

Similarity

N/A

ID: 253715

1-(6-nitro-2H-1,3-benzodioxol-5-yl)ethan-1-one

$$$$ Data

M. F.

C9H7NO5

Suppliers	Catalog Number
Alfa Aesar	L11841
Enamine	EN300-27639

Database	Data ID
PubChem	92022

M. W.

209.15558

CAS

56136-84-6

Similarity

N/A

ID: 253716

3-(cyclopropylamino)propanoic acid hydrochloride

$$$$ Data

M. F.

C6H12ClNO2

Suppliers	Catalog Number
Enamine	EN300-27643

Database	Data ID
PubChem	17570939

M. W.

165.61798

CAS

Similarity

N/A

ID: 253717

ethyl (2Z)-3-[(E)-(carbamoylimino)amino]but-2-enoate

$$$$ Data

M. F.

C7H11N3O3

Suppliers	Catalog Number
Enamine	EN300-27644

Database	Data ID
PubChem	13220332

M. W.

185.18054

CAS

Similarity

N/A

ID: 253718

(2R,3R)-3-{[(tert-butoxy)carbonyl]amino}bicyclo[2.2.1]heptane-2-carboxylic acid

$$$$ Data

M. F.

C13H21NO4

Suppliers	Catalog Number
Enamine	EN300-27649

Database	Data ID
PubChem	16227988

M. W.

255.31014

CAS

Similarity

N/A

ID: 253719

6-chloro-1-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

$$$$ Data

M. F.

C8H11ClN2

Suppliers	Catalog Number
Enamine	EN300-27651

Database	Data ID
PubChem	16227989

M. W.

170.63934

CAS

Similarity

N/A

ID: 253720

5-(4-bromophenyl)thiophene-2-carbaldehyde

$$$$ Data

M. F.

C11H7BrOS

Suppliers	Catalog Number
Enamine	EN300-27655
A&J Pharmtech	AJA-O40173

Database	Data ID
PubChem	3578056

M. W.

267.14168

CAS

38401-70-6

Similarity

N/A

ID: 253721

2-benzyl-octahydro-1H-isoindole-1,3,5-trione

$$$$ Data

M. F.

C15H15NO3

Suppliers	Catalog Number
ChemBridge	4300167
Enamine	EN300-27656

Database	Data ID
PubChem	2861804

M. W.

257.2845

CAS

22931-53-9

Similarity

N/A

ID: 253722

5-chloro-2-(pyrrolidin-1-yl)pyrimidine-4-carboxylic acid

$$$$ Data

M. F.

C9H10ClN3O2

Suppliers	Catalog Number
Enamine	EN300-27663

Database	Data ID
PubChem	2312491

M. W.

227.6476

CAS

Similarity

N/A

ID: 253723

1-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperazine dihydrochloride

$$$$ Data

M. F.

C10H20Cl2N4O

Suppliers	Catalog Number
Enamine	EN300-27667

Database	Data ID
PubChem	43810461

M. W.

283.198

CAS

Similarity

N/A

ID: 253724

5-methyl-1-(6-oxo-1,6-dihydropyridazin-3-yl)-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C9H8N4O3

Suppliers	Catalog Number
Enamine	EN300-27669

Database	Data ID
PubChem	16227990

M. W.

220.18482

CAS

Similarity

N/A

ID: 253725

1-(2-ethyl-4-methyl-6-sulfanylpyrimidin-5-yl)ethan-1-one

$$$$ Data

M. F.

C9H12N2OS

Suppliers	Catalog Number
Enamine	EN300-27673

Database	Data ID
PubChem	13016356

M. W.

196.26938

CAS

13995-64-7

Similarity

N/A

ID: 253726

5-phenyl-3,4-dihydro-2H-pyrrole

$$$$ Data

M. F.

C10H11N

Suppliers	Catalog Number
Enamine	EN300-27675

Database	Data ID
PubChem	261893

M. W.

145.20104

CAS

700-91-4

Similarity

N/A

ID: 253727

3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid

$$$$ Data

M. F.

C8H6N2O3

Suppliers	Catalog Number
Enamine	EN300-27676

Database	Data ID
PubChem	16227991

M. W.

178.14484

CAS

Similarity

N/A

ID: 253728

tert-butyl 3-oxo-4-phenylpiperidine-1-carboxylate

$$$$ Data

M. F.

C16H21NO3

Suppliers	Catalog Number
Enamine	EN300-27677

Database	Data ID
PubChem	16227992

M. W.

275.34284

CAS

Similarity

N/A

ID: 253729

6,7-dimethoxycinnoline-3-carboxylic acid

$$$$ Data

M. F.

C11H10N2O4

Suppliers	Catalog Number
Enamine	EN300-27678

Database	Data ID
PubChem	16227993

M. W.

234.2081

CAS

Similarity

N/A

ID: 253730

cinnoline-3-carboxylic acid

$$$$ Data

M. F.

C9H6N2O2

Suppliers	Catalog Number
Enamine	EN300-27679

Database	Data ID
PubChem	16228904

M. W.

174.15614

CAS

Similarity

N/A

ID: 253731

7H,8H,9H-[1,4]dioxepino[2,3-g]cinnoline-3-carboxylic acid

$$$$ Data

M. F.

C12H10N2O4

Suppliers	Catalog Number
Enamine	EN300-27680

Database	Data ID
PubChem	16228749

M. W.

246.2188

CAS

Similarity

N/A

ID: 253732

7-methoxycinnoline-3-carboxylic acid

$$$$ Data

M. F.

C10H8N2O3

Suppliers	Catalog Number
Enamine	EN300-27681
A&J Pharmtech	AJA-O1324

Database	Data ID
PubChem	16227994

M. W.

204.18212

CAS

929975-18-8

Similarity

N/A

ID: 253733

5,7-dimethoxycinnoline-3-carboxylic acid

$$$$ Data

M. F.

C11H10N2O4

Suppliers	Catalog Number
Enamine	EN300-27682

Database	Data ID
PubChem	16227995

M. W.

234.2081

CAS

Similarity

N/A

ID: 253734

7H-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid

$$$$ Data

M. F.

C10H6N2O4

Suppliers	Catalog Number
Enamine	EN300-27683

Database	Data ID
PubChem	16227996

M. W.

218.16564

CAS

Similarity

N/A

ID: 253735

5,6,7-trimethoxycinnoline-3-carboxylic acid

$$$$ Data

M. F.

C12H12N2O5

Suppliers	Catalog Number
Enamine	EN300-27684

Database	Data ID
PubChem	10778005

M. W.

264.23408

CAS

Similarity

N/A

ID: 253736

2-[phenyl(pyridin-2-yl)phosphanyl]pyridine

$$$$ Data

M. F.

C16H13N2P

Suppliers	Catalog Number
Enamine	EN300-27686

Database	Data ID
PubChem	603962

M. W.

264.261581

CAS

68469-71-6

Similarity

N/A

ID: 253737

2-(trifluoromethyl)cyclohexan-1-amine

$$$$ Data

M. F.

C7H12F3N

Suppliers	Catalog Number
Enamine	EN300-27688

Database	Data ID
PubChem	16228772

M. W.

167.1720896

CAS

58665-69-3

Similarity

N/A

ID: 253738

tert-butyl 2-methyl-octahydropyrrolo[2,3-c]pyrrole-5-carboxylate

$$$$ Data

M. F.

C12H22N2O2

Suppliers	Catalog Number
Enamine	EN300-27689

Database	Data ID
PubChem	16228709

M. W.

226.31528

CAS

Similarity

N/A

ID: 253739

1,2-dimethyl-octahydropyrrolo[2,3-c]pyrrole

$$$$ Data

M. F.

C8H16N2

Suppliers	Catalog Number
Enamine	EN300-27690

Database	Data ID
PubChem	15070026

M. W.

140.22604

CAS

Similarity

N/A

ID: 253740

ethyl (2Z)-2-(ethoxymethylidene)-3-oxobutanoate

$$$$ Data

M. F.

C9H14O4

Suppliers	Catalog Number
Enamine	EN300-27692
Bide Pharmatech	BD20553
A&J Pharmtech	AJA-O21451

Database	Data ID
PubChem	5355337

M. W.

186.20506

CAS

3788-94-1

Similarity

N/A

ID: 253741

4-chloro-2-methoxybenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C7H6Cl2O3S

Suppliers	Catalog Number
Enamine	EN300-27694

Database	Data ID
PubChem	15725376

M. W.

241.09174

CAS

Similarity

N/A

ID: 253742

1-[2-(furan-2-yl)-4-hydroxy-6-methylpyrimidin-5-yl]ethan-1-one

$$$$ Data

M. F.

C11H10N2O3

Suppliers	Catalog Number
Enamine	EN300-27697

Database	Data ID
PubChem	16227997

M. W.

218.2087

CAS

Similarity

N/A

ID: 253743

methyl 4-[(phenoxycarbonyl)oxy]benzoate

$$$$ Data

M. F.

C15H12O5

Suppliers	Catalog Number
Enamine	EN300-27698

Database	Data ID
PubChem	607425

M. W.

272.25278

CAS

17175-12-1

Similarity

N/A

ID: 253744

methyl 3-[2-(3-aminophenyl)ethynyl]benzoate

$$$$ Data

M. F.

C16H13NO2

Suppliers	Catalog Number
Enamine	EN300-27699

Database	Data ID
PubChem	16227998

M. W.

251.27992

CAS

Similarity

N/A

ID: 253745

6-amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride

$$$$ Data

M. F.

C4H4ClN3O4S

Suppliers	Catalog Number
Enamine	EN300-27702

Database	Data ID
PubChem	16228945

M. W.

225.61026

CAS

Similarity

N/A

ID: 253746

4-{4-[(difluoromethyl)sulfanyl]phenyl}-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-th...

$$$$ Data

M. F.

C15H10F3N3S2

Suppliers	Catalog Number
Enamine	EN300-27703

Database	Data ID
PubChem	16227999

M. W.

353.3852096

CAS

Similarity

N/A

ID: 253747

(4-aminophenyl)urea

$$$$ Data

M. F.

C7H9N3O

Suppliers	Catalog Number
Enamine	EN300-27704

Database	Data ID
PubChem	408346

M. W.

151.16586

CAS

21492-80-8

Similarity

N/A

ID: 253748

3-ethyl-2-(morpholin-4-yl)pentan-1-amine

$$$$ Data

M. F.

C11H24N2O

Suppliers	Catalog Number
Enamine	EN300-27705

Database	Data ID
PubChem	16228000

M. W.

200.32106

CAS

Similarity

N/A

ID: 253749

5-(bromomethyl)-2-phenyl-4,5-dihydro-1,3-oxazole

$$$$ Data

M. F.

C10H10BrNO

Suppliers	Catalog Number
Enamine	EN300-27709

Database	Data ID
PubChem	353792

M. W.

240.0965

CAS

99057-83-7

Similarity

N/A

ID: 253750

6-chloro-4-hydroxy-3-methyl-2H-chromen-2-one

$$$$ Data

M. F.

C10H7ClO3

Suppliers	Catalog Number
Enamine	EN300-27713

Database	Data ID
PubChem	54685558

M. W.

210.61378

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified